Chem
J-GLOBAL ID:200907003099639384
Nikkaji number:J762.294E
Isochlortetracycline
イソクロルテトラサイクリン
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Substance type:
Substance type
Substance type classified into 3 categories. Decided structure: Substances with a clear structure Undicided Structure: Substances with unknown or undetermined structure Mixtures: Mixtures, racemic compounds, or compounds with relative structural arrangements
Decided structure
Molecular formula:
C22 H23 ClN2 O8
Molecular formula furigana:
C22-H23-CL-N2-O8
Molecular weight:
478.880
InChI:
InChI=1S/C22H23ClN2O8/c1-21(15-10(23)4-5-11(26)13(15)20(31)33-21)8-6-9-16(25(2)3)17(28)14(19(24)30)18(29)22(9,32)12(27)7-8/h4-5,8-9,16,26,28,32H,6-7H2,1-3H3,(H2,24,30)/t8-,9-,16-,21-,22-/m0/s1
InChI key:
GFSLIMZISCAANG-AXVXPIMKSA-N
SMILES:
CN(C)[C@H]1[C@@H]2C[C@@H](CC(=O)[C@]2(O)C(=O)C(=C1O)C(=O)N)[C@]1(C)OC(=O)c2c1c(Cl)ccc2O
Systematic name (3):
(4S)-1,4,4aβ,5,6,7,8,8a-オクタヒドロ-3,8aβ-ジヒドロキシ-1,8-ジオキソ-4-(ジメチルアミノ)-6α-[[(S)-1,3-ジヒドロ-7-クロロ-4-ヒドロキシ-1-メチル-3-オキソイソベンゾフラン]-1-イル]ナフタレン-2-カルボアミド
(4S,4aS,6S,8aS)-6-[(1S)-7-クロロ-4-ヒドロキシ-1-メチル-3-オキソ-1,3-ジヒドロ-2-ベンゾフラン-1-イル]-4-(ジメチルアミノ)-3,8a-ジヒドロキシ-1,8-ジオキソ-1,4,4a,5,6,7,8,8a-オクタヒドロナフタレン-2-カルボキサミド
(4S,4aS,6S,8aS)-6-[(1S)-7-chloro-4-hydroxy-1-methyl-3-oxo-1,3-dihydro-2-benzofuran-1-yl]-4-(dimethylamino)-3,8a-dihydroxy-1,8-dioxo-1,4,4a,5,6,7,8,8a-octahydronaphthalene-2-carboxamide
Other name (4):
イソクロルテトラサイクリン
Isochlortetracycline
(4S)-1,4,4aβ,5,6,7,8,8a-Octahydro-3,8aβ-dihydroxy-1,8-dioxo-4-(dimethylamino)-6α-[[(S)-1,3-dihydro-7-chloro-4-hydroxy-1-methyl-3-oxoisobenzofuran]-1-yl]naphthalene-2-carboxamide
イソクロロテトラサイクリン
CAS registry number:
514-53-4
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